SCHEMBL20067599

SCHEMBL20067599

CC1CN(C(=O)OC(C)(C)CCC2CN(C(=O)OC(C)(C)C)CCC2=O)CCC1=O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 2/20 0.38
CRBN Q96SW2 2/20 0.38
NR1H2 P55055 2/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
ESR2 Q92731 1/20 0.34
KDM4E B2RXH2 1/20 0.33
THRB P10828 1/20 0.33
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
BACE1 P56817 2/20 0.33
CTSD P07339 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
SETD7 Q8WTS6 1/20 0.33
TP53 P04637 1/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21241481 0.85 USP2 (0.44) DDB1CRBNNR1H2MAPTMEN1
SCHEMBL104498 0.85 USP2 (0.44) DDB1CRBNNR1H2MAPTMEN1
SCHEMBL28441771 0.85 USP2 (0.44) DDB1CRBNNR1H2MAPTMEN1
Ammonia Solution, Strong SCHEMBL28305195 0.84 USP2 (0.42) DDB1CRBNNR1H2MAPTMEN1
SCHEMBL16825886 0.81 DDB1 (0.43) DDB1CRBNNR1H2MAPTMEN1
SCHEMBL20067485 0.80 DDB1 (0.33) DDB1CRBNNR1H2MAPTMEN1
SCHEMBL20971792 0.79 DDB1 (0.41) DDB1CRBNNR1H2MAPTMEN1
SCHEMBL19331754 0.79 DDB1 (0.44) DDB1CRBNNR1H2MAPTMEN1
SCHEMBL31339121 0.79 NR1H2 (0.49) DDB1CRBNNR1H2MAPTMEN1
SCHEMBL656014 0.79 DDB1 (0.44) DDB1CRBNNR1H2MAPTMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018071404-A1 INHIBITORS OF MUTANT ISOCITRATE DEHYDROGENASES AND COMPOSITIONS AND METHODS THEREOF ISOCURE BIOSCIENCES INC. (US) 2018-04-19 WO disclosed